{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,21]],"date-time":"2026-02-21T21:28:50Z","timestamp":1771709330864,"version":"3.50.1"},"reference-count":109,"publisher":"American Chemical Society (ACS)","issue":"17","license":[{"start":{"date-parts":[[2023,7,24]],"date-time":"2023-07-24T00:00:00Z","timestamp":1690156800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,7,24]],"date-time":"2023-07-24T00:00:00Z","timestamp":1690156800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,7,24]],"date-time":"2023-07-24T00:00:00Z","timestamp":1690156800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100006109","name":"Vedeck? Grantov? Agent?ra M?VVa? SR a SAV","doi-asserted-by":"publisher","award":["2\/0061\/23"],"award-info":[{"award-number":["2\/0061\/23"]}],"id":[{"id":"10.13039\/501100006109","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005357","name":"Agent?ra na Podporu V?skumu a V?voja","doi-asserted-by":"publisher","award":["19-0376"],"award-info":[{"award-number":["19-0376"]}],"id":[{"id":"10.13039\/501100005357","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005357","name":"Agent?ra na Podporu V?skumu a V?voja","doi-asserted-by":"publisher","award":["20-0230"],"award-info":[{"award-number":["20-0230"]}],"id":[{"id":"10.13039\/501100005357","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,9,11]]},"DOI":"10.1021\/acs.jcim.3c00704","type":"journal-article","created":{"date-parts":[[2023,7,24]],"date-time":"2023-07-24T12:30:20Z","timestamp":1690201820000},"page":"5604-5618","source":"Crossref","is-referenced-by-count":16,"title":["How E-, L-, and P-Selectins Bind to sLe<sup>x<\/sup> and PSGL-1: A Quantification of Critical Residue Interactions"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5332-7558","authenticated-orcid":true,"given":"Vladimir","family":"Sladek","sequence":"first","affiliation":[{"name":"Institute of Chemistry, SAS, Dubravska cesta 9, 84538 Bratislava, Slovakia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pavel","family":"\u0160mak","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Medicine, Masaryk University, Kamenice 5, 625 00 Brno, Czech Republic"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2740-944X","authenticated-orcid":true,"given":"Igor","family":"Tvaro\u0161ka","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, SAS, Dubravska cesta 9, 84538 Bratislava, Slovakia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2023,7,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25122835"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/S1471-4914(03)00071-6"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.bi.64.070195.000553"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1182\/blood.V88.9.3259.bloodjournal8893259"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1093\/cvr\/cvv154"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1034\/j.1600-065X.2002.18603.x"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.abb.2004.04.008"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-065X.2009.00795.x"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ja9610702"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(00)00138-0"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/367532a0"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1093\/jmcb\/mjv046"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M116.767186"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.274.35.24838"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20820"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1093\/glycob\/cww115"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2006.08.019"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1172\/JCI119142"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1590\/S0100-879X1999000500004"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.4049\/jimmunol.0900409"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.it.2017.02.002"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.colsurfb.2021.112002"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.RA119.010910"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M303551200"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M709785200"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.273.49.32506"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/bi981341g"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M005005200"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jp4099123"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(17)31656-3"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.270.39.22677"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(95)90173-6"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(95)90174-4"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.271.6.3255"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/nri2156"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.semcancer.2010.04.005"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201600058"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.12837"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201202555"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1517\/13543771003767468"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1517\/13543776.13.3.305"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2852"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/C9MD00292H"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0810784105"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-013-9644-8"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp00111b"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1121"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20290"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP00316K"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2011.12.004"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/cr200093j"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1322"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ct500489d"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/5.0039520"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ct300849w"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00715"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1063\/1.1687334"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005188"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.46.618"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.1569242"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674902"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1007\/BF00533485"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/jp070589p"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/b709669k"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232113514"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c08204"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c02510"},{"key":"ref72\/cit72","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-0716-0282-9","volume-title":"Quantum Mechanics in Drug Discovery","author":"Heifetz A.","year":"2020"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2018.03.135"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2020.107650"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/ja105051e"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202104481"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2021.08.010"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1248\/cpb.c18-00990"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.3390\/cancers13164246"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c03043"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c02702"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26940"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/jp071710v"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1166\/jctn.2009.1182"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1039\/D0OB01490G"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1039\/D2OB01545E"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1063\/5.0131256"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b00163"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20496"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b12000"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1273\/cbij.22.55"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP05851G"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.2477\/jccj.4.25"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0255167"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00733"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00939"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00009"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24693"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(17)32068-9"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.270.23.14047"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1002\/chin.200142289"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1002\/med.10018"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1021\/jm990342j"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1021\/jm050049l"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1002\/chem.19970031006"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1021\/ja4029582"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00295"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1093\/glycob\/cwab021"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c01356"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00704","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00704","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,9,11]],"date-time":"2023-09-11T08:15:33Z","timestamp":1694420133000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00704"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,7,24]]},"references-count":109,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2023,9,11]]}},"alternative-id":["10.1021\/acs.jcim.3c00704"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00704","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,7,24]]}}}